Geometry & MOs

Info

ID:	439524
PubChem CID:	135229300
Reduced:	F3N3O3C27H32 (1)
Stoich.:	A3B3C3D27E32 (1)
Weight, g/mol:	461.304228
ΔH_f, kcal/mol:	-251.62
Dipole, Da:	2.91
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(4-propan-2-ylanilino)benzimidazol-5-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC([C@@H](C1)N2C3=C(C=C(C=C3)CC(=O)OC)N=C2NC4=CC=C(C=C4)OC(F)(F)F)C(C)C

DOS

IR

Vibrations